General Information of the Compound
| Compound ID |
CP0462227
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| Compound Name |
1-[2-(2,5-dimethylpyrrolidin-1-yl)-2-oxoethyl]-3-isoquinolin-6-ylurea
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| Structure |
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| Formula |
C18H22N4O2
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| Molecular Weight |
326.4
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| Canonical SMILES |
CC1CCC(C)N1C(=O)CNC(=O)Nc1ccc2cnccc2c1
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| InChI |
InChI=1S/C18H22N4O2/c1-12-3-4-13(2)22(12)17(23)11-20-18(24)21-16-6-5-15-10-19-8-7-14(15)9-16/h5-10,12-13H,3-4,11H2,1-2H3,(H2,20,21,24)
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| InChIKey |
BGPQOVRSQPXNFD-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound